Geometry & MOs

Info

ID:	247093
PubChem CID:	103067552
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	183.056325
ΔH_f, kcal/mol:	20.6
Dipole, Da:	2.4
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)prop-2-enyl-(cyanomethyl)amino]acetonitrile

Drug info:

PubChemData

Smile

CCNCC(=C)COC1=CC=CC2=C1C=CC=N2

DOS

IR

Vibrations